1-benzamido-3-(4-methylphenyl)sulfonylurea

C15H15N3O4S — CID 4142958

IUPAC1-benzamido-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15N3O4S/c1-11-7-9-13(10-8-11)23(21,22)18-15(20)17-16-14(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,19)(H2,17,18,20)
InChIKeyPKYGGRIBYFYEBO-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.33
Rot. Bonds3

About 1-benzamido-3-(4-methylphenyl)sulfonylurea

1-benzamido-3-(4-methylphenyl)sulfonylurea (PubChem CID 4142958) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-benzamido-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-benzamido-3-(4-methylphenyl)sulfonylurea
PubChem CID4142958
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name1-benzamido-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15N3O4S/c1-11-7-9-13(10-8-11)23(21,22)18-15(20)17-16-14(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,19)(H2,17,18,20)
InChIKeyPKYGGRIBYFYEBO-UHFFFAOYSA-N
XLogP1.33
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
1-benzhydryl-3-(4-methylphenyl)sulfonylurea
CID 1124078
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 19150636
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea
CID 59052048

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-benzamido-3-(4-methylphenyl)sulfonylurea (CID 4142958) is 1-benzamido-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-benzamido-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-benzamido-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of 1-benzamido-3-(4-methylphenyl)sulfonylurea?
The InChIKey is PKYGGRIBYFYEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-11-7-9-13(10-8-11)23(21,22)18-15(20)17-16-14(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of 1-benzamido-3-(4-methylphenyl)sulfonylurea?
1-benzamido-3-(4-methylphenyl)sulfonylurea has a molecular weight of 333.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 4142958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).